4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide

C8H14ClNOS — CID 103067732

IUPAC4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide
SMILESC=C(CCl)CN1CCS(=O)CC1
InChIInChI=1S/C8H14ClNOS/c1-8(6-9)7-10-2-4-12(11)5-3-10/h1-7H2
InChIKeyFATCFHFVVFYIQW-UHFFFAOYSA-N
MW207.73 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide

4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide (PubChem CID 103067732) has the molecular formula C8H14ClNOS and a molecular weight of 207.73 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide
PubChem CID103067732
Molecular FormulaC8H14ClNOS
Molecular Weight207.73 g/mol
Exact Mass207.05
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide
SMILESC=C(CCl)CN1CCS(=O)CC1
InChIInChI=1S/C8H14ClNOS/c1-8(6-9)7-10-2-4-12(11)5-3-10/h1-7H2
InChIKeyFATCFHFVVFYIQW-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chlorobut-2-enyl)-1,4-thiazinane 1-oxide
CID 77051237
4-[2-(Chloromethyl)prop-2-enyl]thiomorpholine
CID 103067618
4-[2-(Chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 103067657
4-[2-(Chloromethyl)prop-2-enyl]-2,6-dimethylthiomorpholine
CID 103067877
4-[2-(Chloromethyl)prop-2-enyl]-3-methylsulfonylthiomorpholine
CID 103067902
4-[2-(Chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
CID 103067903
4-[2-(Chloromethyl)prop-2-enyl]-2-methylthiomorpholine
CID 103067968
4-[2-(Chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine
CID 103067973
4-[2-(Chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103067995
4-(2-Chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 130709200
4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide
CID 131233951
4-[(E)-3-chloroprop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 131234361

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide (CID 103067732) is 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide is C=C(CCl)CN1CCS(=O)CC1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide?
The InChIKey is FATCFHFVVFYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNOS/c1-8(6-9)7-10-2-4-12(11)5-3-10/h1-7H2.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide?
4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide has a molecular weight of 207.73 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 103067732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).